2-[(1-aminocycloheptyl)methoxy]-N-propylpropanamide

C14H28N2O2 — CID 64548740

IUPAC2-[(1-aminocycloheptyl)methoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)OCC1(N)CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-3-10-16-13(17)12(2)18-11-14(15)8-6-4-5-7-9-14/h12H,3-11,15H2,1-2H3,(H,16,17)
InChIKeyDBNRORKRQUCBCZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.97
Rot. Bonds6

About 2-[(1-aminocycloheptyl)methoxy]-N-propylpropanamide

2-[(1-aminocycloheptyl)methoxy]-N-propylpropanamide (PubChem CID 64548740) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[(1-aminocycloheptyl)methoxy]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(1-aminocycloheptyl)methoxy]-N-propylpropanamide
PubChem CID64548740
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[(1-aminocycloheptyl)methoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)OCC1(N)CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-3-10-16-13(17)12(2)18-11-14(15)8-6-4-5-7-9-14/h12H,3-11,15H2,1-2H3,(H,16,17)
InChIKeyDBNRORKRQUCBCZ-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1-aminocycloheptyl)methoxy]-N-propylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-N-propylpropanamide?
The IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-N-propylpropanamide (CID 64548740) is 2-[(1-aminocycloheptyl)methoxy]-N-propylpropanamide.
What is the SMILES notation for 2-[(1-aminocycloheptyl)methoxy]-N-propylpropanamide?
The canonical SMILES for 2-[(1-aminocycloheptyl)methoxy]-N-propylpropanamide is CCCNC(=O)C(C)OCC1(N)CCCCCC1.
What is the InChIKey of 2-[(1-aminocycloheptyl)methoxy]-N-propylpropanamide?
The InChIKey is DBNRORKRQUCBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-10-16-13(17)12(2)18-11-14(15)8-6-4-5-7-9-14/h12H,3-11,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[(1-aminocycloheptyl)methoxy]-N-propylpropanamide?
2-[(1-aminocycloheptyl)methoxy]-N-propylpropanamide has a molecular weight of 256.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocycloheptyl)methoxy]-N-propylpropanamide is sourced from PubChem (CID 64548740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).